CID 24689158

1016529-85-3

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C10H14N2O2S/c11-8-9-2-4-10(5-3-9)12-6-1-7-15(12,13)14/h2-5H,1,6-8,11H2
InChIKey
DEGLQAJTIAVTNY-UHFFFAOYSA-N
Compound name
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 146.5
[M+Na]+ 249.06682 155.5
[M-H]- 225.07032 152.0
[M+NH4]+ 244.11142 167.3
[M+K]+ 265.04076 151.8
[M+H-H2O]+ 209.07486 140.4
[M+HCOO]- 271.07580 165.0
[M+CH3COO]- 285.09145 185.6
[M+Na-2H]- 247.05227 148.7
[M]+ 226.07705 146.0
[M]- 226.07815 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.